1.0 2016-10-03 18:33:25 UTC 2020-04-22 15:48:48 UTC BMDB0012161 BMDB12161 4-(Glutamylamino) butanoate 4-(Glutamylamino)butanoate 4-(L-Glutam-5-ylamino)butanoic acid gamma Glutamyl gaba gamma-Glutamyl-gaba gamma-L-Glu-gamma-abu gamma-L-Glutamyl-gamma-aminobutyric acid Glugaba Glutamylgaba 4-(gamma-L-Glutamylamino)butanoate gamma-Glutamyl-gamma-aminobutyrate 4-(Glutamylamino)butanoic acid 4-(L-Glutam-5-ylamino)butanoate g Glutamyl gaba Γ glutamyl gaba g-Glutamyl-gaba Γ-glutamyl-gaba g-L-Glu-g-abu Γ-L-glu-γ-abu g-L-Glutamyl-g-aminobutyrate g-L-Glutamyl-g-aminobutyric acid gamma-L-Glutamyl-gamma-aminobutyrate Γ-L-glutamyl-γ-aminobutyrate Γ-L-glutamyl-γ-aminobutyric acid 4-(g-L-Glutamylamino)butanoate 4-(g-L-Glutamylamino)butanoic acid 4-(gamma-L-Glutamylamino)butanoic acid 4-(Γ-L-glutamylamino)butanoate 4-(Γ-L-glutamylamino)butanoic acid g-Glutamyl-g-aminobutyrate g-Glutamyl-g-aminobutyric acid gamma-Glutamyl-gamma-aminobutyric acid Γ-glutamyl-γ-aminobutyrate Γ-glutamyl-γ-aminobutyric acid 4-(Glutamylamino) butanoic acid 4-(L-gamma-glutamylamino)Butanoate 4-(L-gamma-glutamylamino)Butanoic acid gamma-Glu-gaba gamma-Glutamyl-gamma aminobutyric acid N(5)-(3-Carboxypropyl)-L-glutamine C9H16N2O5 232.2337 232.105921632 (2S)-2-amino-4-[(3-carboxypropyl)carbamoyl]butanoic acid glugaba 5105-96-4 N[C@@H](CCC(=O)NCCCC(O)=O)C(O)=O InChI=1S/C9H16N2O5/c10-6(9(15)16)3-4-7(12)11-5-1-2-8(13)14/h6H,1-5,10H2,(H,11,12)(H,13,14)(H,15,16)/t6-/m0/s1 MKYPKZSGLSOGLL-LURJTMIESA-N belongs to the class of organic compounds known as glutamine and derivatives. Glutamine and derivatives are compounds containing glutamine or a derivative thereof resulting from reaction of glutamine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom. Organic compounds Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Glutamine and derivatives Amino acids Carbonyl compounds Carboxylic acids Dicarboxylic acids and derivatives Fatty acids and conjugates Gamma amino acids and derivatives Hydrocarbon derivatives L-alpha-amino acids Monoalkylamines N-acyl amines Organic oxides Organopnictogen compounds Secondary carboxylic acid amides Aliphatic acyclic compound Alpha-amino acid Amine Amino acid Carbonyl group Carboxamide group Carboxylic acid Dicarboxylic acid or derivatives Fatty acid Fatty acyl Fatty amide Gamma amino acid or derivatives Glutamine or derivatives Hydrocarbon derivative L-alpha-amino acid N-acyl-amine Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Primary aliphatic amine Primary amine Secondary carboxylic acid amide Aliphatic acyclic compounds amino dicarboxylic acid Solid logp -3.37 ALOGPS logs -1.28 ALOGPS logp -3.9 ChemAxon pka_strongest_acidic 2.3 ChemAxon pka_strongest_basic 9.31 ChemAxon iupac (2S)-2-amino-4-[(3-carboxypropyl)carbamoyl]butanoic acid ChemAxon average_mass 232.2337 ChemAxon mono_mass 232.105921632 ChemAxon smiles N[C@@H](CCC(=O)NCCCC(O)=O)C(O)=O ChemAxon formula C9H16N2O5 ChemAxon inchi InChI=1S/C9H16N2O5/c10-6(9(15)16)3-4-7(12)11-5-1-2-8(13)14/h6H,1-5,10H2,(H,11,12)(H,13,14)(H,15,16)/t6-/m0/s1 ChemAxon inchikey MKYPKZSGLSOGLL-LURJTMIESA-N ChemAxon polar_surface_area 129.72 ChemAxon refractivity 53.55 ChemAxon polarizability 23.13 ChemAxon rotatable_bond_count 8 ChemAxon acceptor_count 6 ChemAxon donor_count 4 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon number_of_rings 0 ChemAxon bioavailability 1 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Specdb::CMs 2849 Specdb::CMs 39841 Specdb::CMs 175409 Specdb::MsMs 27572 Specdb::MsMs 27573 Specdb::MsMs 27574 Specdb::MsMs 34130 Specdb::MsMs 34131 Specdb::MsMs 34132 Specdb::MsMs 2735708 Specdb::MsMs 2735709 Specdb::MsMs 2735710 Specdb::MsMs 2973396 Specdb::MsMs 2973397 Specdb::MsMs 2973398 Specdb::NmrOneD 95578 Specdb::NmrOneD 95579 Specdb::NmrOneD 95580 Specdb::NmrOneD 95581 Specdb::NmrOneD 95582 Specdb::NmrOneD 95583 Specdb::NmrOneD 95584 Specdb::NmrOneD 95585 Specdb::NmrOneD 95586 Specdb::NmrOneD 95587 Specdb::NmrOneD 95588 Specdb::NmrOneD 95589 Specdb::NmrOneD 95590 Specdb::NmrOneD 95591 Specdb::NmrOneD 95592 Specdb::NmrOneD 95593 Specdb::NmrOneD 95594 Specdb::NmrOneD 95595 Specdb::NmrOneD 95596 Specdb::NmrOneD 95597 FDB028817 23724570 21865667 49260 C15767 CPD-9000